SCHEMBL29809278

SCHEMBL29809278

CN1CCc2cc(Br)ccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SRD5A1 P18405 2/20 0.50
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
AOC3 Q16853 2/20 0.46
BRD4 O60885 1/20 0.45
OPRD1 P41143 1/20 0.44
SRD5A2 P31213 1/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
PRF1 P14222 1/20 0.42
PARP1 P09874 1/20 0.42
METAP1 P53582 1/20 0.41
TDP2 O95551 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL172065 1.00 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1PARP10
SCHEMBL17797550 0.90 SRD5A1 (0.48) GRM5MEN1KMT2ASRD5A1PARP10
SCHEMBL2016126 0.86 MEN1 (0.53) GRM5MEN1KMT2APARP10PARP1
SCHEMBL29407570 0.86 MEN1 (0.53) GRM5MEN1KMT2APARP10PARP1
SCHEMBL290250 0.82 BRD4 (0.56) MEN1KMT2ASRD5A1PARP10PARP11
SCHEMBL424393 0.81 GRM5 (0.57) GRM5MEN1KMT2ASRD5A1PARP10
SCHEMBL18053937 0.81 GRM5 (0.57) GRM5MEN1KMT2AAOC3OPRD1
SCHEMBL1817669 0.80 GRM5 (0.61) GRM5SRD5A1PRMT5WDR77
SCHEMBL19699194 0.79 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL17244227 0.79 PARP10 (0.47) GRM5SRD5A1PARP10PARP11SRD5A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120077042-A 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors 卡尔维斯塔制药有限公司 2025-05-30 CN disclosed
CN-118451080-A Tricyclic GPR65 modulators 帕蒂奥斯治疗有限公司 2024-08-06 CN disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-111655681-B Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases 莱德克斯制药公共有限公司 2024-01-05 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
CN-113264920-B CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof 中国药科大学 2022-09-02 CN disclosed
CN-108707140-B Protease C inhibitors 勃林格殷格翰国际有限公司 2022-07-22 CN disclosed